BDBM50130164 (S)-1-[(4S,6R)-4-(4,5-Dimethoxy-benzo[b]thiophen-2-yl)-2-methyl-piperidin-1-yl]-3-(1H-indol-4-yloxy)-propan-2-ol::CHEMBL310063

SMILES: COc1ccc2sc(cc2c1OC)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1

InChI Key: InChIKey=IYVOISDYTHXCOF-OTWHNJEPSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50130164   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50130164 ((S)-1-[(4S,6R)-4-(4,5-Dimethoxy-benzo[b]thiophen-2...) Show SMILES COc1ccc2sc(cc2c1OC)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1 Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(26-14-21-25(34-26)8-7-24(31-2)27(21)32-3)10-12-29(17)15-19(30)16-33-23-6-4-5-22-20(23)9-11-28-22/h4-9,11,14,17-19,28,30H,10,12-13,15-16H2,1-3H3/t17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.				Bioorg Med Chem Lett 13: 2393-7 (2003) BindingDB Entry DOI: 10.7270/Q2Z31Z1R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50130164 ((S)-1-[(4S,6R)-4-(4,5-Dimethoxy-benzo[b]thiophen-2...) Show SMILES COc1ccc2sc(cc2c1OC)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1 Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(26-14-21-25(34-26)8-7-24(31-2)27(21)32-3)10-12-29(17)15-19(30)16-33-23-6-4-5-22-20(23)9-11-28-22/h4-9,11,14,17-19,28,30H,10,12-13,15-16H2,1-3H3/t17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.				Bioorg Med Chem Lett 13: 2393-7 (2003) BindingDB Entry DOI: 10.7270/Q2Z31Z1R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50130164 ((S)-1-[(4S,6R)-4-(4,5-Dimethoxy-benzo[b]thiophen-2...) Show SMILES COc1ccc2sc(cc2c1OC)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1 Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(26-14-21-25(34-26)8-7-24(31-2)27(21)32-3)10-12-29(17)15-19(30)16-33-23-6-4-5-22-20(23)9-11-28-22/h4-9,11,14,17-19,28,30H,10,12-13,15-16H2,1-3H3/t17-,18+,19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes				Bioorg Med Chem Lett 13: 2393-7 (2003) BindingDB Entry DOI: 10.7270/Q2Z31Z1R
					More data for this Ligand-Target Pair